BMRB Entry 51231
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51231
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: 1H, 13C, and 15N Chemical Shift Assignments for amyloidogenic PAP(85-120) peptide
Deposition date: 2021-12-16 Original release date: 2021-12-20
Authors: Blokhin, Dmitriy; Kusova, Aleksandra; Abramova, Maria; Skvortsova, Polina; Yulmetov, Aydar; Klochkov, Vladimir
Citation: Blokhin, Dmitriy. "1H, 13C and 15N Assigned Chemical Shifts for amyloidogenic PAP(85-120) peptide" J. Mol. Struct. ., .-..
Assembly members:
entity_1, polymer, 36 residues, 4469.1699 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: IRKRYRKFLNESYKHEQVYI
RSTDVDRTLMSAMTNL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 134 |
| 15N chemical shifts | 33 |
| 1H chemical shifts | 220 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PAP(85-120) | 1 |
Entities:
Entity 1, PAP(85-120) 36 residues - 4469.1699 Da.
| 1 | ILE | ARG | LYS | ARG | TYR | ARG | LYS | PHE | LEU | ASN | ||||
| 2 | GLU | SER | TYR | LYS | HIS | GLU | GLN | VAL | TYR | ILE | ||||
| 3 | ARG | SER | THR | ASP | VAL | ASP | ARG | THR | LEU | MET | ||||
| 4 | SER | ALA | MET | THR | ASN | LEU |
Samples:
sample_1: PAP(85-120) 0.8 mM
sample_conditions_1: pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMBC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis v2.4 - chemical shift assignment
DANGLE v1.1 - data analysis
PyRPF v0.4 - data analysis
TOPSPIN v3.6 - processing
NMR spectrometers:
- Bruker AVANCE III 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts